ethyl 4-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C3=CC=CC=C3)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C3=CC=CC=C3)C)SC

InChI

InChI=1S/C18H19N5O2S/c1-4-25-17(24)14-11-19-18(26-3)21-16(14)20-15-10-12(2)22-23(15)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,20,21)